[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H29ClN2O5S/c1-3-17(2)19-9-5-6-10-21(19)26-23(28)16-32-24(29)18-11-12-20(25)22(15-18)33(30,31)27-13-7-4-8-14-27/h5-6,9-12,15,17H,3-4,7-8,13-14,16H2,1-2H3,(H,26,28)